N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

C17H28N2O2 — CID 20923849

IUPACN,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1noc2c1CCCCC2
InChIInChI=1S/C17H28N2O2/c1-12(2)10-19(11-13(3)4)17(20)16-14-8-6-5-7-9-15(14)21-18-16/h12-13H,5-11H2,1-4H3
InChIKeyJXOTVYPSEVSTQJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.70
Rot. Bonds5

About N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 20923849) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID20923849
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)c1noc2c1CCCCC2
InChIInChI=1S/C17H28N2O2/c1-12(2)10-19(11-13(3)4)17(20)16-14-8-6-5-7-9-15(14)21-18-16/h12-13H,5-11H2,1-4H3
InChIKeyJXOTVYPSEVSTQJ-UHFFFAOYSA-N
XLogP3.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 20923849) is N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is CC(C)CN(CC(C)C)C(=O)c1noc2c1CCCCC2.
What is the InChIKey of N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is JXOTVYPSEVSTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)10-19(11-13(3)4)17(20)16-14-8-6-5-7-9-15(14)21-18-16/h12-13H,5-11H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 20923849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).